Identitet

Sisomicin Impurity 5

Ikke angivet · C46H73N7O19

01Identitet

Lazychem ID	LC-33971
CAS RN	Ikke angivet
PubChem CID	147513306
Molecular formula	C46H73N7O19
Molecular weight	1028.1 g/mol
IUPAC name	(4-nitrophenyl)methyl N-[[(2S,3R)-2-[(1R,2S,3S,4R,6S)-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxy-4-[[(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-yl]methyl]carbamate
InChIKey	FJSLTPFJBANSOD-OHQBWFKISA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Sisomicin Impurity 5 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 12 defined stereocentres, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres	12
Ring count	4
Secondary amines	1
Tertiary amines	0

SMILES	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)O)O
InChI	Ikke angivet

03Stereochemistry

The published structure contains 12 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres12Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4,096Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.